ALMO Update (Rustam Z. Khaliullin):
fragments with charges,
major revision of AMLO keywords,
single-molecule loop to bootstrap calculations on complex systems,
frozen term for the ALMO energy decomposition analysis,
improved convergence of the PCG algorithm,
bug fixes for cases R_cutoff > R_cell/2,
small quadratic overhead removed,
initial extension to open-shell fragments
some new regtests
                         


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14447 bac0169d-1eea-4375-b5f6-f89d2ced9994